Department Chemie und Pharmazie

Investigation of the uncatalyzed hydration of CO2 and first approximations to the active site of carbonic anhydrase - A combined Ab initio and DFT study (1996) Hartmann M, Clark T, van Eldik R Journal article Ab initio calculations on electron-transfer catalysis by metal ions (1996) Clark T Authored book Theoretical study of the water exchange reaction on divalent zinc ion using density functional theory (1996) Hartmann M, Clark T, van Eldik R Journal article Synthesis and structure of aquamethanol-2′,2‴-(2,6-pyridin-diyldiethylidene)- dioxamohydrazidocobalt(II) perchlorate (1996) Andelkovic K, Ivanovic-Burmazovic I, Prelesnik B, Leovac V, Poleti D Journal article, Original article Exact treatment of exchange in Kohn-Sham band-structure schemes (1996) Görling A Journal article, Original article Exact local exchange potential from Fock equations at vanishing coupling constant, and δTc/δn from wave-function calculations at full coupling constant (1996) Levy M, Ernzerhof M, Görling A Journal article, Original article Angle-resolved photoemission studies of adsorbed hydrocarbons (1996) Steinrück HP Journal article, Review article Generalized Kohn-Sham schemes and the band-gap problem (1996) Seidl A, Görling A, Vogl P, Majewski J, Levy M Journal article, Original article Density-functional exchange identity from coordinate scaling (1996) Levy M, Görling A Journal article, Original article Argon desorption as a tool to study the growth of molecular layers (1996) Stichler M, Zebisch P, Weinelt M, Steinrück HP Journal article, Original article